ContaminantDB: Zinc diethyldithiocarbamate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (1)XML

Record Information

Version

1.0

Creation Date

2009-06-19 21:58:48 UTC

Update Date

2026-05-14 19:41:59 UTC

Accession Number

CHEM001245

Identification

Common Name

Zinc diethyldithiocarbamate

Class

Small Molecule

Description

Zinc diethyldithiocarbamate is a chemical compound of zinc. Zinc is a metallic element with the atomic number 30. It is found in nature most often as the mineral sphalerite. Though excess zinc in harmful, in smaller amounts it is an essential element for life, as it is a cofactor for over 300 enzymes and is found in just as many transcription factors. (2, 3)

Contaminant Sources

HPV EPA Chemicals
My Exposome Chemicals
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Amine
Industrial/Workplace Toxin
Organic Compound
Organometallic
Synthetic Compound
Zinc Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(T-4)-Bis(diethylcarbamodithioato-kappas,kappas')zinc	ChEBI
Bis(dibutyldithiocarbamato)zinc	ChEBI
Diethyldithiocarbamate zinc salt	ChEBI
Ditiocarb	ChEBI
Zinc bis(diethyldithiocarbamate)	ChEBI
Zinc bis(diethyldithiocarbamoyl)disulfide	ChEBI
Zinc bis(diethyldithiocarbamoyl)disulphide	ChEBI
Zinc bis(diethylthiocarbamoyl)disulfide	ChEBI
Diethyldithiocarbamic acid zinc salt	Generator
Zinc bis(diethyldithiocarbamic acid)	Generator
Zinc bis(diethylthiocarbamoyl)disulphide	Generator
Zinc diethyldithiocarbamic acid	Generator
Diethyldithiocarbamate, sodium	MeSH
Zinc salt ditiocarb	MeSH
Diethyldithiocarbamic acid	MeSH
Dithiocarb	MeSH
Ditiocarb, potassium salt	MeSH
Ditiocarb, sodium salt	MeSH
Ditiocarb, sodium salt, trihydrate	MeSH
Sodium, ditiocarb	MeSH
Thiocarb	MeSH
Ditiocarb, bismuth salt	MeSH
Ditiocarb, tin(4+) salt	MeSH
Imuthiol	MeSH
Sodium diethyldithiocarbamate	MeSH
Ammonium salt ditiocarb	MeSH
Bismuth salt ditiocarb	MeSH
Diethylcarbamodithioic acid	MeSH
Diethyldithiocarbamate	MeSH
Diethyldithiocarbamate, zinc	MeSH
Ditiocarb sodium	MeSH
Ditiocarb, ammonium salt	MeSH
Ditiocarb, lead salt	MeSH
Ditiocarb, zinc salt	MeSH
Lead salt ditiocarb	MeSH
Potassium salt ditiocarb	MeSH
Sodium salt ditiocarb	MeSH

Chemical Formula

C₁₀H₂₀N₂S₄Zn

Average Molecular Mass

361.948 g/mol

Monoisotopic Mass

359.980 g/mol

CAS Registry Number

14324-55-1

IUPAC Name

zinc(2+) bis((diethylcarbamothioyl)sulfanide)

Traditional Name

bis[(diethylcarbamothioyl)sulfanyl]zinc

SMILES

CCN(CC)C(=S)S[Zn]SC(=S)N(CC)CC

InChI Identifier

InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2

InChI Key

RKQOSDAEEGPRER-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of organic compounds known as organosulfur compounds. These are organic compounds containing a carbon-sulfur bond.

Kingdom

Organic compounds

Super Class

Organosulfur compounds

Class

Not Available

Sub Class

Not Available

Direct Parent

Organosulfur compounds

Alternative Parents

Substituents

Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organic salt
Organosulfur compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	179.5°C
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.035 g/L	ALOGPS
logP	3.92	ALOGPS
logP	3.11	ChemAxon
logS	-4	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	6.48 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	88.24 m³·mol⁻¹	ChemAxon
Polarizability	34.08 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0049000000-2a0159480933f5707e18	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-3900000000-03651780156622299330	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-9210000000-5e894bf048e9f302b846	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-4629000000-c135b1929cf14455f438	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-02mj-4922000000-813b6845430c3b9f8401	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03dl-6970000000-b9c5da9fcdd4b7d3de64	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-03di-7649000000-566995d6056295a66348	Spectrum

Toxicity Profile

Route of Exposure

Oral (3) ; inhalation (3) ; dermal (3)

Mechanism of Toxicity

Anaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (2, 3, 1)

Metabolism

Zinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (3)

Toxicity Values

LD50: 142 mg/kg (Oral, Mouse) (6)

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Uses/Sources

Not Available

Minimum Risk Level

Intermediate Oral: 0.3 mg/kg/day (5) Chronic Oral: 0.3 mg/kg/day (5)

Health Effects

Chronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (3)

Symptoms

Ingestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (3)

Treatment

Zinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (3)

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

144351

PubChem Compound ID

26633

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=30697834

Zinc diethyldithiocarbamate (CHEM001245)

Structure for CHEM001245: Zinc diethyldithiocarbamate